Articles with "rpa hrpa" as a keyword



RPA(D) and HRPA(D): Calculating NMR Spin–Spin Coupling Constants in Free Amino Acid Residues

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Published in 2025 at "Magnetic Resonance in Chemistry"

DOI: 10.1002/mrc.5514

Abstract: ABSTRACT In the pursuit of computational methods which boast both low computational cost and a high degree of accuracy, the SOPPA‐derived methods RPA(D) and HRPA(D) are showing great promise. This study aims to further the… read more here.

Keywords: coupling constants; spin spin; rpa hrpa; calculating nmr ... See more keywords